Understanding CO2 adsorption in a flexible zeolite through a combination of structural, kinetic and modelling techniques
Understanding CO2 adsorption in a flexible zeolite through a combination of structural, kinetic and modelling techniques
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DOI：
10.1016/j.seppur.2020.117846
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发表时间：
2021-02-01
影响因子：
8.6
通讯作者：
Brandani, Stefano
中科院分区：
文献类型：
--
作者：
Verbraeken, Maarten C.;Mennitto, Roberto;Brandani, Stefano
在这项研究中，我们展示了如何在一个灵活的沸石非平凡的平衡和动力学吸附行为可以通过实验表征和建模相结合来理解。柔性沸石，例如RHO家族中的那些，在CO2存在下可以表现出不寻常的阶梯式等温线，但是它们的结构复杂性使得难以归因于明确的机理。在这里，我们提出了一个结构和动力学研究（Na，TEA）-ZSM-25，RHO家族的扩展成员，并表明，通过结合衍射数据，晶格流体模型和动态柱实验，我们得到一个合理的机制CO2吸附和运输在这种材料。很明显，通过使用任何单一的技术，行为太复杂而不易理解。据我们所知，这是第一次研究测量和模拟由于吸附引起的框架灵活性的变化动力学。
In this study we show how non-trivial equilibrium and kinetic adsorption behaviour in a flexible zeolite can be understood through a combination of experimental characterisation and modelling. Flexible zeolites, such as those in the RHO-family, can exhibit unusual stepped isotherms in the presence of CO2, but their structural complexity makes it hard to attribute a clear mechanism. Here we present a structural and kinetic study on (Na, TEA)-ZSM-25, an extended member of the RHO-family, and show that by combining diffraction data, lattice fluid modelling and dynamic column experiments, we obtain a plausible mechanism for CO2 adsorption and transport in this material. It is evident that by using any single technique, the behaviour is too complex to be readily understood. This is to our knowledge the first study to measure and model the changing kinetics due to adsorption induced framework flexibility.